N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-3,4-dihydro-2H-chromen-4-amine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-3,4-dihydro-2H-chromen-4-amine Openeye Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]chroman-4-amine CAS Name: N-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-3,4-dihydro-2H-1-benzopyran-4-amine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-3,4-dihydro-2H-chromen-4-amine Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-chroman-4-yl-amine Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCOC4=CC=CC=C34)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCOC4=CC=CC=C34)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c25-24(26)20-15-16(30(27,28)23-12-5-1-2-6-13-23)9-10-19(20)22-18-11-14-29-21-8-4-3-7-17(18)21/h3-4,7-10,15,18,22H,1-2,5-6,11-14H2